UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25537869
25537869
25537873
25537873

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-2,4,5-trimethyl-furan-3-carboxamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 4.96 -11.96 1 6 0 64 372.465 6 ↓
Lo Low (pH 4.5-6) 2.41 7.41 -45.27 2 6 1 65 373.473 6 ↓

Analogs

25537869
25537869
25537873
25537873

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-2,4,5-trimethyl-furan-3-carboxamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 5.51 -10.98 1 6 0 64 372.465 6 ↓
Lo Low (pH 4.5-6) 2.41 7.43 -45.02 2 6 1 65 373.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]furan-3-carboxamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.59 3.36 -14.69 1 6 0 64 330.384 6 ↓
Lo Low (pH 4.5-6) 1.59 5.29 -49.96 2 6 1 65 331.392 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]furan-3-carboxamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.59 3.6 -14.65 1 6 0 64 330.384 6 ↓
Lo Low (pH 4.5-6) 1.59 5.68 -53.27 2 6 1 65 331.392 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholino-ethyl]-2-methyl-furan-3-carboxamide N-[(2S)-2-(4-ethoxy-3-methoxy-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 4.96 -12.95 1 7 0 73 388.464 8 ↓
Lo Low (pH 4.5-6) 1.78 6.93 -49.46 2 7 1 74 389.472 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholino-ethyl]-2-methyl-furan-3-carboxamide N-[(2R)-2-(4-ethoxy-3-methoxy-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.78 5 -13.38 1 7 0 73 388.464 8 ↓
Lo Low (pH 4.5-6) 1.78 6.96 -50.13 2 7 1 74 389.472 8 ↓

Analogs

25537869
25537869
25537873
25537873

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[(2S)-2-morpholino-2-(p-tolyl)ethyl]furan-3-carboxamide 2,5-dimethyl-N-[(2S)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 5.77 -8.84 1 5 0 55 342.439 5 ↓
Lo Low (pH 4.5-6) 2.43 8.24 -41.32 2 5 1 56 343.447 5 ↓

Analogs

25537869
25537869
25537873
25537873

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[(2R)-2-morpholino-2-(p-tolyl)ethyl]furan-3-carboxamide 2,5-dimethyl-N-[(2R)-2-morpholin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 5.79 -8.92 1 5 0 55 342.439 5 ↓
Lo Low (pH 4.5-6) 2.43 8.26 -41.93 2 5 1 56 343.447 5 ↓

Analogs

25409447
25409447
25409443
25409443

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(3-methoxyphenyl)-2-morpholino-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2R)-2-(3-methoxyphenyl)-2-mo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 4.95 -8.91 1 6 0 64 358.438 6 ↓
Lo Low (pH 4.5-6) 2.01 6.86 -41.91 2 6 1 65 359.446 6 ↓

Analogs

25409447
25409447
25409443
25409443

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(3-methoxyphenyl)-2-morpholino-ethyl]-2,5-dimethyl-furan-3-carboxamide N-[(2S)-2-(3-methoxyphenyl)-2-mo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 4.95 -9.17 1 6 0 64 358.438 6 ↓
Lo Low (pH 4.5-6) 2.01 6.88 -42.51 2 6 1 65 359.446 6 ↓

Parameters Provided:

ring.id = 38046
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 38046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=38046&filter.purchasability=annotated

Embed Link to Results